Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 551-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
atom_E
distance
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
str_E
✕
Age
✕
Calculator
✕
Maximum force
✕
Charge
✕
Username
✕
551
Cu
54
Na
0.008
-195.024
15M
vasp
0.009
0.000
hecc
552
Cu
54
Mg
0.007
-194.556
15M
vasp
0.005
0.000
hecc
553
AlCu
54
0.007
-196.324
15M
vasp
0.008
0.000
hecc
554
Cu
54
Si
0.006
-197.777
15M
vasp
0.009
0.000
hecc
555
Cu
54
P
0.006
-198.547
15M
vasp
0.004
0.000
hecc
556
Cu
54
S
0.006
-198.308
15M
vasp
0.009
0.000
hecc
557
Cu
54
Cl
0.006
-196.481
15M
vasp
0.009
0.000
hecc
558
Cu
54
Ar
0.007
-192.878
15M
vasp
0.009
0.000
hecc
559
Cu
54
H
0.007
-196.523
15M
vasp
0.006
0.000
hecc
560
Cu
54
He
0.007
-192.846
15M
vasp
0.006
0.000
hecc
561
Cu
54
Li
0.008
-195.466
15M
vasp
0.007
0.000
hecc
562
BeCu
54
0.008
-195.474
15M
vasp
0.009
0.000
hecc
563
Cu
54
B
0.008
-197.691
15M
vasp
0.008
0.000
hecc
564
Cu
54
C
0.008
-199.256
15M
vasp
0.010
0.000
hecc
565
Cu
54
N
0.005
-199.896
15M
vasp
0.008
0.000
hecc
566
Cu
54
O
0.005
-199.469
15M
vasp
0.007
0.000
hecc
567
Cu
54
F
0.006
-197.505
15M
vasp
0.009
0.000
hecc
568
Cu
54
Ne
0.007
-192.866
15M
vasp
0.007
0.000
hecc
569
Cu
54
Na
0.008
-195.018
15M
vasp
0.006
0.000
hecc
570
Cu
54
Mg
0.008
-194.540
15M
vasp
0.010
0.000
hecc
571
AlCu
54
0.007
-196.341
15M
vasp
0.010
0.000
hecc
572
Cu
54
Si
0.006
-197.812
15M
vasp
0.010
0.000
hecc
573
Cu
54
P
0.006
-198.588
15M
vasp
0.006
0.000
hecc
574
Cu
54
S
0.005
-198.347
15M
vasp
0.008
0.000
hecc
575
Cu
54
Cl
0.006
-196.406
15M
vasp
0.011
0.000
hecc
«
1
...
»